N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluorobenzamide

C23H21FN4O2 — CID 91892815

IUPACN-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluorobenzamide
SMILESCc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4cccc(F)c4)ccn3n2)c1
InChIInChI=1S/C23H21FN4O2/c1-15-6-7-16(2)19(12-15)20-14-21-23(30)27(10-11-28(21)26-20)9-8-25-22(29)17-4-3-5-18(24)13-17/h3-7,10-14H,8-9H2,1-2H3,(H,25,29)
InChIKeyPTEASPDDEZRRJH-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.35
Rot. Bonds5

About N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluorobenzamide

N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluorobenzamide (PubChem CID 91892815) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluorobenzamide
PubChem CID91892815
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC NameN-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluorobenzamide
SMILESCc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4cccc(F)c4)ccn3n2)c1
InChIInChI=1S/C23H21FN4O2/c1-15-6-7-16(2)19(12-15)20-14-21-23(30)27(10-11-28(21)26-20)9-8-25-22(29)17-4-3-5-18(24)13-17/h3-7,10-14H,8-9H2,1-2H3,(H,25,29)
InChIKeyPTEASPDDEZRRJH-UHFFFAOYSA-N
XLogP3.35
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluorobenzamide (CID 91892815) is N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluorobenzamide is Cc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4cccc(F)c4)ccn3n2)c1.
What is the InChIKey of N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluorobenzamide?
The InChIKey is PTEASPDDEZRRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-15-6-7-16(2)19(12-15)20-14-21-23(30)27(10-11-28(21)26-20)9-8-25-22(29)17-4-3-5-18(24)13-17/h3-7,10-14H,8-9H2,1-2H3,(H,25,29).
What are the key properties of N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluorobenzamide?
N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluorobenzamide has a molecular weight of 404.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 91892815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).